CYCLO[-(D-VAL-L-PRO-L-VAL-D-HYI)2-] - SODIUM CATION - Optional[13C NMR] - Chemical Shifts

SpectraBase Compound ID	6Rh0CRCCvsW
InChI	InChI=1S/C40H66N6O10.Na/c1-19(2)27-37(51)45-17-13-15-25(45)33(47)43-30(22(7)8)40(54)56-32(24(11)12)36(50)42-28(20(3)4)38(52)46-18-14-16-26(46)34(48)44-29(21(5)6)39(53)55-31(23(9)10)35(49)41-27;/h19-32H,13-18H2,1-12H3,(H,41,49)(H,42,50)(H,43,47)(H,44,48);/q;+1/t25-,26-,27+,28+,29-,30-,31+,32+;/m1./s1
InChIKey	DTBSDHFWPYBPDV-DFNXMHLQSA-N Google Search
Mol Weight	814.0 g/mol
Molecular Formula	C40H66N6NaO10
Exact Mass	813.473812 g/mol

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SpectraBase Spectrum ID	1VgmF0s6VmC
Name	CYCLO[-(D-VAL-L-PRO-L-VAL-D-HYI)2-] - SODIUM CATION
Copyright	Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula	C40H66N6NaO10
InChI	InChI=1S/C40H66N6O10.Na/c1-19(2)27-37(51)45-17-13-15-25(45)33(47)43-30(22(7)8)40(54)56-32(24(11)12)36(50)42-28(20(3)4)38(52)46-18-14-16-26(46)34(48)44-29(21(5)6)39(53)55-31(23(9)10)35(49)41-27;/h19-32H,13-18H2,1-12H3,(H,41,49)(H,42,50)(H,43,47)(H,44,48);/q;+1/t25-,26-,27+,28+,29-,30-,31+,32+;/m1./s1
InChIKey	DTBSDHFWPYBPDV-DFNXMHLQSA-N
Instrument Name	Varian XL-100
Literature Reference	T.A.BALASHOVA, L.A.FONINA, A.Z.GUREVICH, N.V.STAROVOITOVA, L.B.SENYAVINA,G.YA.AVOTIN, V.T.IVANOV, YU.A.OVCHINNIKOV (1982) Bioorganich.Khim.(Russ.Lang.): v.8, N11, 1462-1473.
NMR Standard	TMS
Origin	Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent	SEE COMMENT